Information card for entry 1567861

Structure parameters

• Formula: C31 H37 N3 O6
• Calculated formula: C31 H37 N3 O6
• Title of publication: An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide
• Authors of publication: Misra, Rajkumar; Netti, Francesca; Koren, Gil; Dan, Yoav; Chakraborty, Priyadarshi; Cohen, Sidney R.; Shimon, Linda J. W.; Beck, Roy; Adler-Abramovich, Lihi
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 6223 - 6228
• a: 9.2497 ± 0.0006 Å
• b: 9.6644 ± 0.0002 Å
• c: 32.938 ± 0.0007 Å
• α: 90.062 ± 0.002°
• β: 92.44 ± 0.003°
• γ: 104.738 ± 0.004°
• Cell volume: 2844.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.3321
• Weighted residual factors for all reflections included in the refinement: 0.3486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.406
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No